REMARK Name = BDB004751 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.771 0.140 0.819 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.947 -0.262 0.179 0.00 0.00 +0.028 A ATOM 3 C LIG 1 3.100 -0.593 0.918 0.00 0.00 -0.024 A ATOM 4 C LIG 1 3.046 -0.519 2.318 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.882 -0.110 2.963 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.751 0.218 2.215 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -0.654 0.473 -1.214 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -0.425 0.466 0.148 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -1.185 0.771 0.742 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 0.155 0.253 -2.106 0.00 0.00 -0.270 OA BRANCH 7 15 ATOM 11 C LIG 1 -4.426 0.707 -1.257 0.00 0.00 +0.122 A ATOM 12 N LIG 1 -4.616 1.571 -2.278 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 -3.546 2.012 -2.978 0.00 0.00 +0.113 A ATOM 14 C LIG 1 -2.247 1.665 -2.685 0.00 0.00 +0.033 A ATOM 15 C LIG 1 -2.045 0.825 -1.598 0.00 0.00 +0.042 A ATOM 16 C LIG 1 -3.141 0.323 -0.890 0.00 0.00 +0.056 A BRANCH 11 19 ATOM 17 C LIG 1 -7.820 -0.152 -0.148 0.00 0.00 +0.075 C ATOM 18 C LIG 1 -6.846 0.759 -0.935 0.00 0.00 +0.125 C ATOM 19 N LIG 1 -5.523 0.255 -0.544 0.00 0.00 -0.314 N ATOM 20 C LIG 1 -5.619 -1.159 -0.181 0.00 0.00 +0.108 C ATOM 21 C LIG 1 -7.105 -1.502 -0.319 0.00 0.00 +0.039 C BRANCH 17 22 ATOM 22 N LIG 1 -9.232 -0.157 -0.590 0.00 0.00 -0.298 NA BRANCH 22 24 ATOM 23 C LIG 1 -10.172 -1.094 1.586 0.00 0.00 +0.020 C ATOM 24 C LIG 1 -10.045 -1.197 0.067 0.00 0.00 +0.081 C ENDBRANCH 22 24 BRANCH 22 25 ATOM 25 C LIG 1 -9.870 1.168 -0.469 0.00 0.00 +0.081 C ATOM 26 C LIG 1 -9.795 1.960 -1.771 0.00 0.00 +0.020 C ENDBRANCH 22 25 ENDBRANCH 17 22 ENDBRANCH 11 19 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 27 ATOM 27 C LIG 1 4.349 -1.071 0.184 0.00 0.00 +0.116 C BRANCH 27 28 ATOM 28 N LIG 1 5.572 -0.820 0.971 0.00 0.00 -0.320 N ATOM 29 H LIG 1 6.244 -1.556 0.753 0.00 0.00 +0.148 HD BRANCH 28 30 ATOM 30 C LIG 1 6.211 0.423 0.811 0.00 0.00 +0.130 A ATOM 31 C LIG 1 7.329 0.723 1.616 0.00 0.00 +0.041 A ATOM 32 C LIG 1 7.951 1.966 1.398 0.00 0.00 +0.088 A ATOM 33 C LIG 1 9.059 2.285 2.211 0.00 0.00 +0.063 A ATOM 34 C LIG 1 9.520 1.409 3.212 0.00 0.00 +0.015 A ATOM 35 C LIG 1 8.895 0.191 3.421 0.00 0.00 +0.002 A ATOM 36 N LIG 1 7.478 2.812 0.456 0.00 0.00 -0.235 NA ATOM 37 C LIG 1 6.391 2.437 -0.231 0.00 0.00 +0.223 A ATOM 38 C LIG 1 7.809 -0.149 2.624 0.00 0.00 +0.013 A ATOM 39 N LIG 1 5.737 1.286 -0.098 0.00 0.00 -0.220 NA BRANCH 33 40 ATOM 40 C LIG 1 9.808 3.571 2.088 0.00 0.00 +0.244 C ATOM 41 O LIG 1 10.543 3.964 2.985 0.00 0.00 -0.270 OA ATOM 42 N LIG 1 9.671 4.301 0.941 0.00 0.00 -0.325 N ATOM 43 H LIG 1 10.058 5.234 0.937 0.00 0.00 +0.145 HD ATOM 44 H LIG 1 8.888 4.106 0.321 0.00 0.00 +0.145 HD ENDBRANCH 33 40 ENDBRANCH 28 30 ENDBRANCH 27 28 BRANCH 27 45 ATOM 45 C LIG 1 4.253 -2.614 -0.063 0.00 0.00 +0.110 C BRANCH 45 46 ATOM 46 N LIG 1 5.515 -3.217 -0.575 0.00 0.00 -0.306 NA ATOM 47 C LIG 1 5.793 -2.772 -1.946 0.00 0.00 +0.104 C ATOM 48 C LIG 1 5.408 -4.680 -0.544 0.00 0.00 +0.104 C ENDBRANCH 45 46 ENDBRANCH 27 45 ENDBRANCH 3 27 TORSDOF 12